Rhodium in PDB 2zur: Crystal Structure of Rh(Nbd)/Apo-Fr

The structure of Crystal Structure of Rh(Nbd)/Apo-Fr, PDB code: 2zur was solved by S.Abe, K.Hirata, T.Ueno, N.Shimizu, M.Yamamoto, M.Takata, Y.Watanabe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.01 / 1.80
Space group	F 4 3 2
Cell size a, b, c (Å), α, β, γ (°)	181.276, 181.276, 181.276, 90.00, 90.00, 90.00
R / Rfree (%)	17.5 / 19.6

The structure of Crystal Structure of Rh(Nbd)/Apo-Fr also contains other interesting chemical elements:

Cadmium

(Cd)

5 atoms

The binding sites of Rhodium atom in the Crystal Structure of Rh(Nbd)/Apo-Fr (pdb code 2zur). This binding sites where shown within 5.0 Angstroms radius around Rhodium atom.
In total 3 binding sites of Rhodium where determined in the Crystal Structure of Rh(Nbd)/Apo-Fr, PDB code: 2zur:
Jump to Rhodium binding site number: 1; 2; 3;

Rhodium binding site 1 out of 3 in the Crystal Structure of Rh(Nbd)/Apo-Fr


Mono view


Stereo pair view

A full contact list of Rhodium with other atoms in the Rh binding site number 1 of Crystal Structure of Rh(Nbd)/Apo-Fr within 5.0Å range: probe atom residue distance (Å) B Occ X:Rh48 b:33.2 occ:1.00 RH X:C4R48 0.0 33.2 1.0 O X:HOH358 2.1 31.0 1.0 O X:HOH356 2.1 31.7 1.0 SG X:C4R48 2.2 24.0 1.0 O X:HOH357 2.3 35.3 1.0 OE2 X:GLU45 2.3 20.1 0.7 C12 X:C4R48 2.4 26.0 1.0 C11 X:C4R48 2.7 27.4 1.0 C13 X:C4R48 3.1 27.1 1.0 C15 X:C4R48 3.1 25.9 1.0 CD X:GLU45 3.2 21.3 0.7 CB X:C4R48 3.3 18.1 1.0 OE1 X:GLU45 3.4 25.1 0.7 C10 X:C4R48 3.5 26.5 1.0 OD1 X:ASP38 3.9 20.3 1.0 O2 X:EDO191 4.3 34.2 1.0 C2 X:EDO191 4.3 36.2 1.0 CG X:ASP38 4.4 16.3 1.0 C16 X:C4R48 4.4 26.1 1.0 CB X:ASP38 4.6 12.4 1.0 C17 X:C4R48 4.6 27.6 1.0 CG X:GLU45 4.6 17.6 1.0 CA X:C4R48 4.7 17.2 1.0 O X:GLU45 4.7 12.9 1.0 CA X:GLU45 5.0 12.5 1.0 C X:C4R48 5.0 17.0 1.0

Rhodium binding site 2 out of 3 in the Crystal Structure of Rh(Nbd)/Apo-Fr


Mono view


Stereo pair view

A full contact list of Rhodium with other atoms in the Rh binding site number 2 of Crystal Structure of Rh(Nbd)/Apo-Fr within 5.0Å range: probe atom residue distance (Å) B Occ X:Rh182 b:47.7 occ:0.60 NE2 X:HIS49 1.9 28.0 1.0 CE1 X:HIS49 2.9 28.5 1.0 CD2 X:HIS49 3.0 25.5 1.0 ND1 X:HIS49 4.0 28.4 1.0 CG X:HIS49 4.1 20.6 1.0 O X:HOH313 4.9 46.1 1.0

Rhodium binding site 3 out of 3 in the Crystal Structure of Rh(Nbd)/Apo-Fr


Mono view


Stereo pair view

A full contact list of Rhodium with other atoms in the Rh binding site number 3 of Crystal Structure of Rh(Nbd)/Apo-Fr within 5.0Å range: probe atom residue distance (Å) B Occ X:Rh183 b:46.1 occ:0.20 NE2 X:HIS114 2.1 33.3 1.0 O X:HOH192 2.6 57.9 1.0 CE1 X:HIS114 2.9 33.6 1.0 CD X:CD179 3.2 59.0 0.1 CD2 X:HIS114 3.3 32.4 1.0 CB X:CYS126 3.5 32.1 1.0 O X:CYS126 3.8 32.6 1.0 C X:CYS126 4.0 32.2 1.0 ND1 X:HIS114 4.1 32.9 1.0 CA X:CYS126 4.2 31.8 1.0 CG X:HIS114 4.3 30.8 1.0 CB X:GLU130 4.7 34.6 1.0 N X:ASP127 4.8 32.6 1.0

S.Abe, K.Hirata, T.Ueno, K.Morino, N.Shimizu, M.Yamamoto, M.Takata, E.Yashima, Y.Watanabe. Polymerization of Phenylacetylene By Rhodium Complexes Within A Discrete Space of Apo-Ferritin J.Am.Chem.Soc. V. 131 6958 2009.
ISSN: ISSN 0002-7863
PubMed: 19453195
DOI: 10.1021/JA901234J